JGZ
Summary
| Name: | 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide |
| Formula: | C24 H26 N6 O3 S |
| Formal charge: | 0 |
| Formula weight: | 478.567 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide |
| OpenEye OEToolkits | 1.7.0 | 4-[4-[[4-(4-cyano-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc4cc(c(Oc1nc(ncc1)NC3CCN(c2ccc(cc2)S(=O)(=O)N)CC3)c(c4)C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(cc(C)c1Oc2ccnc(NC3CCN(CC3)c4ccc(cc4)[S](N)(=O)=O)n2)C#N |
| SMILES | CACTVS | 3.370 | Cc1cc(cc(C)c1Oc2ccnc(NC3CCN(CC3)c4ccc(cc4)[S](N)(=O)=O)n2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)c4ccc(cc4)S(=O)(=O)N)C)C#N |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)c4ccc(cc4)S(=O)(=O)N)C)C#N |
| InChI | InChI | 1.03 | InChI=1S/C24H26N6O3S/c1-16-13-18(15-25)14-17(2)23(16)33-22-7-10-27-24(29-22)28-19-8-11-30(12-9-19)20-3-5-21(6-4-20)34(26,31)32/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H2,26,31,32)(H,27,28,29) |
| InChIKey | InChI | 1.03 | GZMNOTZGPCNHSP-UHFFFAOYSA-N |
